SCHEMBL28977424

SCHEMBL28977424

CCCOC(=O)CCC(=O)C(=O)OCCC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
BLM P54132 1/20 0.48
DGKA P23743 1/20 0.47
ADRA2A P08913 1/20 0.45
ADRA1A P35348 1/20 0.45
HTR2C P28335 1/20 0.42
DNM1 Q05193 1/20 0.39
NAAA Q02083 1/20 0.38
ALDH1A1 P00352 3/20 0.37
FAAH O00519 2/20 0.37
LMNA P02545 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPK1 P28482 1/20 0.36
GLA P06280 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
RAD52 P43351 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PPM1B O75688 1/20 0.36
PTPN1 P18031 1/20 0.36
PPP1CC P36873 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16044867 0.91 HCAR2 (0.41) DGKAALDH1A1FAAHLMNATDP1
SCHEMBL7638605 0.88 DGKA (0.53) MAPTBLMDGKAADRA2AADRA1A
SCHEMBL20589 0.86 DGKA (0.58) MAPTBLMDGKAADRA2AADRA1A
SCHEMBL19565794 0.84 HTR2C (0.62) DGKAHTR2CDNM1NAAAFAAH
SCHEMBL31647475 0.84 HTR2C (0.62) DGKAHTR2CDNM1NAAAFAAH
SCHEMBL909822 0.84 CES2 (0.52) DGKAALDH1A1FAAHLMNATDP1
SCHEMBL11141811 0.83 DGKA (0.47) MAPTBLMDGKAADRA2AADRA1A
SCHEMBL4445883 0.83 DGKA (0.47) MAPTBLMDGKAADRA2AADRA1A
SCHEMBL4445881 0.83 FFAR3 (0.44) ALDH1A1LMNATDP1MAPK1HCAR2
SCHEMBL31647665 0.81 DGKA (0.67) MAPTDGKAHTR2CDNM1NAAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115894362-B Intermediate and application and method thereof in preparation of pyrroloquinoline quinone 山东原力泰医药科技有限公司 2023-11-07 CN disclosed
CN-115894362-A Intermediate and application and method thereof in preparation of pyrroloquinoline quinone 山东原力泰医药科技有限公司 2023-04-04 CN disclosed